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时间：2016-05-14 19:59
& Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-
Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-
摘 要：Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-1,4-benzodioxin-7-ylamino)-4-phenyl-1,,3-thiazol-5-yl]-phenylmethanone,Canonical SMILES: C1COC2=C(O1)C=CC(=C2)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5,InChI: InChI=1/C24H18N2O3S/c
[Synonyms]Maybridge4_001432HTS 09625ZINCIDI1_032014
[Structure]
[ Properties Computed from Structure]
Molecular Weight414.47632 [g/mol]Molecular FormulaC24H18N2O3SXLogP4.8H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count5Tautomer Count4Exact Mass414.103813MonoIsotopic Mass414.103813Topological Polar Surface Area60.5Heavy Atom Count30Formal Charge0Complexity579Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-7-ylamino)-4-phenyl-1,3-thiazol-5-yl]-phenylmethanoneCanonical SMILES: C1COC2=C(O1)C=CC(=C2)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5InChI: InChI=1/C24H18N2O3S/c27-22(17-9-5-2-6-10-17)23-21(16-7-3-1-4-8-16)26-24(30-23)25-18-11-12-19-20(15-18)29-14-13-28-19/h1-12,15H,13-14H2,(H,25,26)/f/h25H
本文导航：
Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-
上一篇：暂无& Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8
Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8
摘 要：Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8-chloro-4H-thieno[4,5-c]thiochromene-2-carboxylate,Canonical SMILES: COC(=O)C1=C(C2=C(S1)C3=C(C=CC(=C3)Cl)SC2)N,InChI: InChI=1/C13H10ClNO2S2/c1-17-13(16)12-10(15)8-5-18-9-3-2-6(14)
[Synonyms]Maybridge3_006337SEW 01714ZINCIDI1_017724
[Structure]
[ Properties Computed from Structure]
Molecular Weight311.807 [g/mol]Molecular FormulaC13H10ClNO2S2XLogP3.2H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count2Tautomer Count2Exact Mass310.984148MonoIsotopic Mass310.984148Topological Polar Surface Area52.3Heavy Atom Count19Formal Charge0Complexity371Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: methyl 3-amino-8-chloro-4H-thieno[4,5-c]thiochromene-2-carboxylateCanonical SMILES: COC(=O)C1=C(C2=C(S1)C3=C(C=CC(=C3)Cl)SC2)NInChI: InChI=1/C13H10ClNO2S2/c1-17-13(16)12-10(15)8-5-18-9-3-2-6(14)4-7(9)11(8)19-12/h2-4H,5,15H2,1H3
本文导航：
Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8
上一篇：暂无& ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/4
ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/4
摘 要：ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/-[(4-chlorophenyl)methylsulfanyl]-3-[4-(4-methylphenyl)-1,,3-thiazol-2-yl]-5H-imidazol-4-one,Canonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CN=C3SCC4=CC=C(C=C4)Cl,InCh
[Synonyms]ChemDiv3_005067STK136760ZINCIDI1_022977EU-0015409AJ-292/
[Structure]
[ Properties Computed from Structure]
Molecular Weight413.94354 [g/mol]Molecular FormulaC20H16ClN3OS2XLogP4.5H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count5Exact Mass413.042331MonoIsotopic Mass413.042331Topological Polar Surface Area45.6Heavy Atom Count27Formal Charge0Complexity559Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5H-imidazol-4-oneCanonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CN=C3SCC4=CC=C(C=C4)ClInChI: InChI=1/C20H16ClN3OS2/c1-13-2-6-15(7-3-13)17-12-27-20(23-17)24-18(25)10-22-19(24)26-11-14-4-8-16(21)9-5-14/h2-9,12H,10-11H2,1H3
本文导航：
ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/4
上一篇：暂无& ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SM
ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SM
摘 要：ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SMR,N,N,N',N'-tetraethyl-2,2'-biquinoline-4,4'-dicarboxamide, 2-[4-(diethylcarbamoyl)quinolin-2-yl]-N,N-diethylquinoline-4-carboxamide,Canonical SMILES: CCN(
[Synonyms]ChemDiv3_000347Oprea1_609053MLSZINCIDI1_019665SMRN,N,N',N'-tetraethyl-2,2'-biquinoline-4,4'-dicarboxamide
[Structure]
[ Properties Computed from Structure]
Molecular Weight454.5634 [g/mol]Molecular FormulaC28H30N4O2XLogP5.1H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count7Exact Mass454.236876MonoIsotopic Mass454.236876Topological Polar Surface Area66.4Heavy Atom Count34Formal Charge0Complexity634Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-(diethylcarbamoyl)quinolin-2-yl]-N,N-diethylquinoline-4-carboxamideCanonical SMILES: CCN(CC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)N(CC)CCInChI: InChI=1/C28H30N4O2/c1-5-31(6-2)27(33)21-17-25(29-23-15-11-9-13-19(21)23)26-18-22(28(34)32(7-3)8-4)20-14-10-12-16-24(20)30-26/h9-18H,5-8H2,1-4H3
本文导航：
ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SM
上一篇：暂无& ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2
ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2
摘 要：ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazole,Canonical SMILES: CC1=CC=CC=C1CN2C=NC3=C2C=C(C(=C3)C)C,InChI: InChI=1/C17H18N2/c1-12-6-4-5-7-15(12)10-19-11-18-16-8-13(2)14(3)9-17(16),19/h4-9,11
[Synonyms]ChemDiv3_011516ZINCIDI1_029074ST5070670
[Structure]
[ Properties Computed from Structure]
Molecular Weight250.33822 [g/mol]Molecular FormulaC17H18N2XLogP4.6H-Bond Donor0H-Bond Acceptor2Rotatable Bond Count2Exact Mass250.146999MonoIsotopic Mass250.146999Topological Polar Surface Area17.8Heavy Atom Count19Formal Charge0Complexity304Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazoleCanonical SMILES: CC1=CC=CC=C1CN2C=NC3=C2C=C(C(=C3)C)CInChI: InChI=1/C17H18N2/c1-12-6-4-5-7-15(12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3
本文导航：
ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2
上一篇：暂无}
Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-
摘 要：Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-1,4-benzodioxin-7-ylamino)-4-phenyl-1,,3-thiazol-5-yl]-phenylmethanone,Canonical SMILES: C1COC2=C(O1)C=CC(=C2)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5,InChI: InChI=1/C24H18N2O3S/c
[Synonyms]Maybridge4_001432HTS 09625ZINCIDI1_032014
[Structure]
[ Properties Computed from Structure]
Molecular Weight414.47632 [g/mol]Molecular FormulaC24H18N2O3SXLogP4.8H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count5Tautomer Count4Exact Mass414.103813MonoIsotopic Mass414.103813Topological Polar Surface Area60.5Heavy Atom Count30Formal Charge0Complexity579Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-7-ylamino)-4-phenyl-1,3-thiazol-5-yl]-phenylmethanoneCanonical SMILES: C1COC2=C(O1)C=CC(=C2)NC3=NC(=C(S3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5InChI: InChI=1/C24H18N2O3S/c27-22(17-9-5-2-6-10-17)23-21(16-7-3-1-4-8-16)26-24(30-23)25-18-11-12-19-20(15-18)29-14-13-28-19/h1-12,15H,13-14H2,(H,25,26)/f/h25H
本文导航：
Maybridge4_001432,HTS 09625,ZINC,IDI1_032014, [2-(2,3-dihydro-
上一篇：暂无& Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8
Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8
摘 要：Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8-chloro-4H-thieno[4,5-c]thiochromene-2-carboxylate,Canonical SMILES: COC(=O)C1=C(C2=C(S1)C3=C(C=CC(=C3)Cl)SC2)N,InChI: InChI=1/C13H10ClNO2S2/c1-17-13(16)12-10(15)8-5-18-9-3-2-6(14)
[Synonyms]Maybridge3_006337SEW 01714ZINCIDI1_017724
[Structure]
[ Properties Computed from Structure]
Molecular Weight311.807 [g/mol]Molecular FormulaC13H10ClNO2S2XLogP3.2H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count2Tautomer Count2Exact Mass310.984148MonoIsotopic Mass310.984148Topological Polar Surface Area52.3Heavy Atom Count19Formal Charge0Complexity371Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: methyl 3-amino-8-chloro-4H-thieno[4,5-c]thiochromene-2-carboxylateCanonical SMILES: COC(=O)C1=C(C2=C(S1)C3=C(C=CC(=C3)Cl)SC2)NInChI: InChI=1/C13H10ClNO2S2/c1-17-13(16)12-10(15)8-5-18-9-3-2-6(14)4-7(9)11(8)19-12/h2-4H,5,15H2,1H3
本文导航：
Maybridge3_006337,SEW 01714,ZINC,IDI1_017724, methyl 3-amino-8
上一篇：暂无& ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/4
ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/4
摘 要：ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/-[(4-chlorophenyl)methylsulfanyl]-3-[4-(4-methylphenyl)-1,,3-thiazol-2-yl]-5H-imidazol-4-one,Canonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CN=C3SCC4=CC=C(C=C4)Cl,InCh
[Synonyms]ChemDiv3_005067STK136760ZINCIDI1_022977EU-0015409AJ-292/
[Structure]
[ Properties Computed from Structure]
Molecular Weight413.94354 [g/mol]Molecular FormulaC20H16ClN3OS2XLogP4.5H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count5Exact Mass413.042331MonoIsotopic Mass413.042331Topological Polar Surface Area45.6Heavy Atom Count27Formal Charge0Complexity559Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5H-imidazol-4-oneCanonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CN=C3SCC4=CC=C(C=C4)ClInChI: InChI=1/C20H16ClN3OS2/c1-13-2-6-15(7-3-13)17-12-27-20(23-17)24-18(25)10-22-19(24)26-11-14-4-8-16(21)9-5-14/h2-9,12H,10-11H2,1H3
本文导航：
ChemDiv3_005067,STK136760,ZINC,IDI1_022977,EU-0015409,AJ-292/4
上一篇：暂无& ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SM
ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SM
摘 要：ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SMR,N,N,N',N'-tetraethyl-2,2'-biquinoline-4,4'-dicarboxamide, 2-[4-(diethylcarbamoyl)quinolin-2-yl]-N,N-diethylquinoline-4-carboxamide,Canonical SMILES: CCN(
[Synonyms]ChemDiv3_000347Oprea1_609053MLSZINCIDI1_019665SMRN,N,N',N'-tetraethyl-2,2'-biquinoline-4,4'-dicarboxamide
[Structure]
[ Properties Computed from Structure]
Molecular Weight454.5634 [g/mol]Molecular FormulaC28H30N4O2XLogP5.1H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count7Exact Mass454.236876MonoIsotopic Mass454.236876Topological Polar Surface Area66.4Heavy Atom Count34Formal Charge0Complexity634Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-(diethylcarbamoyl)quinolin-2-yl]-N,N-diethylquinoline-4-carboxamideCanonical SMILES: CCN(CC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)N(CC)CCInChI: InChI=1/C28H30N4O2/c1-5-31(6-2)27(33)21-17-25(29-23-15-11-9-13-19(21)23)26-18-22(28(34)32(7-3)8-4)20-14-10-12-16-24(20)30-26/h9-18H,5-8H2,1-4H3
本文导航：
ChemDiv3_000347,Oprea1_609053,MLS,ZINC,IDI1_019665,SM
上一篇：暂无& ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2
ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2
摘 要：ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazole,Canonical SMILES: CC1=CC=CC=C1CN2C=NC3=C2C=C(C(=C3)C)C,InChI: InChI=1/C17H18N2/c1-12-6-4-5-7-15(12)10-19-11-18-16-8-13(2)14(3)9-17(16),19/h4-9,11
[Synonyms]ChemDiv3_011516ZINCIDI1_029074ST5070670
[Structure]
[ Properties Computed from Structure]
Molecular Weight250.33822 [g/mol]Molecular FormulaC17H18N2XLogP4.6H-Bond Donor0H-Bond Acceptor2Rotatable Bond Count2Exact Mass250.146999MonoIsotopic Mass250.146999Topological Polar Surface Area17.8Heavy Atom Count19Formal Charge0Complexity304Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazoleCanonical SMILES: CC1=CC=CC=C1CN2C=NC3=C2C=C(C(=C3)C)CInChI: InChI=1/C17H18N2/c1-12-6-4-5-7-15(12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3
本文导航：
ChemDiv3_011516,ZINC,IDI1_029074,ST,6-dimethyl-1-[(2
上一篇：暂无}
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